5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline

C12H16FNO2 — CID 26189643

IUPAC5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline
SMILESNc1cc(F)ccc1OC[C@H]1CCCCO1
InChIInChI=1S/C12H16FNO2/c13-9-4-5-12(11(14)7-9)16-8-10-3-1-2-6-15-10/h4-5,7,10H,1-3,6,8,14H2/t10-/m1/s1
InChIKeyZOAQUIWZZYQJRO-SNVBAGLBSA-N
MW225.26 g/mol
LogP2.36
Rot. Bonds3

About 5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline

5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline (PubChem CID 26189643) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline.

Molecular Properties

Compound Name5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline
PubChem CID26189643
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline
SMILESNc1cc(F)ccc1OC[C@H]1CCCCO1
InChIInChI=1S/C12H16FNO2/c13-9-4-5-12(11(14)7-9)16-8-10-3-1-2-6-15-10/h4-5,7,10H,1-3,6,8,14H2/t10-/m1/s1
InChIKeyZOAQUIWZZYQJRO-SNVBAGLBSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
4-bromo-5-fluoro-2-(oxan-2-ylmethoxy)aniline
CID 116736435
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 78937766
4-ethoxy-5-fluoro-2-(oxan-2-ylmethoxy)aniline
CID 55216471
(1R)-1-[4-fluoro-2-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63365868
ethyl 3-amino-4-(oxan-2-ylmethoxy)benzoate
CID 61307033
4-chloro-2-(oxan-2-ylmethoxy)aniline
CID 62306028
4-bromo-5-fluoro-2-(oxolan-2-ylmethoxy)aniline
CID 116736428
4-methoxy-3-(oxan-2-ylmethoxy)aniline
CID 43591699
5-bromo-4-fluoro-2-(oxolan-2-ylmethoxy)aniline
CID 66111356
5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896169
(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride
CID 161179637

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline?
The IUPAC name of 5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline (CID 26189643) is 5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline.
What is the SMILES notation for 5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline?
The canonical SMILES for 5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline is Nc1cc(F)ccc1OC[C@H]1CCCCO1.
What is the InChIKey of 5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline?
The InChIKey is ZOAQUIWZZYQJRO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-9-4-5-12(11(14)7-9)16-8-10-3-1-2-6-15-10/h4-5,7,10H,1-3,6,8,14H2/t10-/m1/s1.
What are the key properties of 5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline?
5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline has a molecular weight of 225.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline is sourced from PubChem (CID 26189643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).